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28795-23-5 | 1H-Imidazole, 1-[2-(butylsulfonyl)ethyl]-2-methyl-5-nitro-
CAS No: 28795-23-5 Catalog No: AG002WIY MDL No:
Product Description
Catalog Number:
AG002WIY
Chemical Name:
1H-Imidazole, 1-[2-(butylsulfonyl)ethyl]-2-methyl-5-nitro-
CAS Number:
28795-23-5
Molecular Formula:
C10H17N3O4S
Molecular Weight:
275.3247
IUPAC Name:
1-(2-butylsulfonylethyl)-2-methyl-5-nitroimidazole
InChI:
InChI=1S/C10H17N3O4S/c1-3-4-6-18(16,17)7-5-12-9(2)11-8-10(12)13(14)15/h8H,3-7H2,1-2H3
InChI Key:
DZFCQJKOFGWYBC-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.323g/mol
Monoisotopic Mass:
275.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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